Search MNXref
 Feedback

8-demethyl-8-alpha-L-rhamnosyl-tetracenomycin C

MNXM145751 is deprecated and here replaced by MNXM1368162
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368162 Image of MNXM1368162
referencechebi:78283
formulaC28H28O15
global charge0
mol weight604.517
InChIKeyQIJXKOOPLDVFLW-DWENXZEQSA-N
InChIInChI=1S/C28H28O15/c1-8-15-10(6-12(16(8)25(37)41-4)43-26-21(33)20(32)18(30)9(2)42-26)5-11-17(19(15)31)24(36)27(38)14(29)7-13(40-3)23(35)28(27,39)22(11)34/h5-7,9,18,20-21,23,26,30-33,35,38-39H,1-4H3/t9-,18-,20+,21+,23+,26-,27+,28+/m0/s1
SMILESCOC(=O)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C=C2C=C3C(=O)[C@@]4(O)[C@H](O)C(OC)=CC(=O)[C@@]4(O)C(=O)C3=C(O)C2=C1C
MNX internals
InChI (mnx)InChI=1/C28H28O15/c1-8-15-10(6-12(16(8)25(37)41-4)43-26-21(33)20(32)18(30)9(2)42-26)5-11-17(19(15)31)24(36)27(38)14(29)7-13(40-3)23(35)28(27,39)22(11)34/h5-7,9,18,20-21,23,26,30-33,35,38-39H,1-4H3/t9-,18-,20+,21+,23+,26-,27+,28+/m0/s1 Image of MNXM1368162
SMILES (mnx)[CH3:1][C:8]1=[C:16]([C:25](=[O:37])[O:41][CH3:4])[C:12]([O:43][C@H:26]2[C@H:21]([OH:33])[C@H:20]([OH:32])[C@@H:18]([OH:30])[C@H:9]([CH3:2])[O:42]2)=[CH:6][C:10]2=[CH:5][C:11]3=[C:17]([C:19]([OH:31])=[C:15]12)[C:24](=[O:36])[C@:27]1([OH:38])[C:14](=[O:29])[CH:7]=[C:13]([O:40][CH3:3])[C@@H:23]([OH:35])[C@:28]1([OH:39])[C:22]3=[O:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78283
chebi:78283
QIJXKOOPLDVFLW-DWENXZEQSA-N 		8-demethyl-8-alpha-L-rhamnosyl-tetracenomycin C
8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C
methyl (6aR,7S,10aR)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate

kegg.compound:C20974
keggC:C20974
QIJXKOOPLDVFLW-DWENXZEQSA-N 		8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C

metacyc.compound:CPD-16641
metacycM:CPD-16641
QIJXKOOPLDVFLW-DWENXZEQSA-N 		8-demethyl-8-alpha-L-rhamnosyl-tetracenomycin C

keggC:M_C20974 		secondary/obsolete/fantasy identifier